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Substance Name: Acetic acid, dichloro-, 1-((1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl)-1,2-ethanediyl ester
RN: 37419-59-3
InChIKey: UUTRAUFTUNNPCG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-Cl4-N4-O6

Molecular Weight

  • 476.0986
 
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Names and Synonyms

Synonyms

  • Diester dichloro acetique de 7-(2,3-dihydroxypropyl)theophylline
  • Diester dichloro acetique de 7-(2,3-dihydroxypropyl)theophylline [French]

Systematic Name

  • Acetic acid, dichloro-, 1-((1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)methyl)-1,2-ethanediyl ester

Registry Numbers

CAS Registry Number

  • 37419-59-3

System Generated Number

  • 0037419593

Structure Descriptors

InChI

1S/C14H14Cl4N4O6/c1-20-10-7(11(23)21(2)14(20)26)22(5-19-10)3-6(28-13(25)9(17)18)4-27-12(24)8(15)16/h5-6,8-9H,3-4H2,1-2H3

InChIKey

UUTRAUFTUNNPCG-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(COC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1200mg/kg (1200mg/kg)   French Demande Patent Document. Vol. #2097015,
mouse LD50 oral > 5gm/kg (5000mg/kg)   French Demande Patent Document. Vol. #2097015,